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Updated: Jul 1, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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功能辅助机器学习用于预测二元半导体的带间隙

Sitong Huo1, Shuqing Zhang1, Qilin Wu1

  • 1Institute of Information Photonics Technology, School of Physics and Optoelectronic Engineering, Beijing University of Technology, Beijing 100124, China.

Nanomaterials (Basel, Switzerland)
|March 12, 2024
PubMed
概括

预测半导体带间隙对于光电子学至关重要. 这项研究结合了机器学习和SISSO方法,以创建只使用基本特征的准确,可解释的模型,突出了电子负性.

关键词:
这里是SISSO,SISSO.乐队间隙 乐队间隙 乐队间隙二元半导体二元半导体有洞察力的预测预测.机器学习是机器学习.

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Types of Semiconductors

Intrinsic semiconductors are highly pure materials with no impurities. At absolute zero, these semiconductors behave as perfect insulators because all the valence electrons are bound, and the conduction band is empty, disallowing electrical conduction. The Fermi level is a concept used to describe the probability of occupancy of energy levels by electrons at thermal equilibrium. In intrinsic semiconductors, the Fermi level is positioned at the midpoint of the energy gap at absolute zero. When...
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Fermi Level Dynamics01:12

Fermi Level Dynamics

The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
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Metal-Semiconductor Junctions01:24

Metal-Semiconductor Junctions

The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
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Carrier Generation and Recombination01:22

Carrier Generation and Recombination

Carrier generation is the process by which electron-hole pairs (EHPs) are created within the semiconductor. In direct-bandgap semiconductors, such as gallium arsenide (GaAs), this occurs efficiently when energy absorption prompts valence electrons to leap into the conduction band, leaving behind holes.
This process is given by the generation rate G and is efficient due to the conservation of momentum between the valence band maximum and conduction band minimum.
Indirect generation involves an...
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Bandpass Sampling01:17

Bandpass Sampling

In signal processing, bandpass sampling is an effective technique for sampling signals that have most of their energy concentrated within a narrow frequency band. This type of signal is known as a bandpass signal. The key principle of bandpass sampling involves sampling the signal at a rate that is greater than twice the signal's bandwidth to prevent aliasing.
A bandpass signal has a spectrum with a lower frequency limit, denoted as ω1, and an upper frequency limit, denoted as ω2....
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